1-(1,2-dimethyl-5-phenyl-pyrazol-3-ylidene)-2-methyl-piperidin-1-ium chloride

Systemtic Name: 1-(1,2-dimethyl-5-phenyl-pyrazol-3-ylidene)-2-methyl-piperidin-1-ium chloride Openeye Name: 1-(1,2-dimethyl-5-phenyl-pyrazol-3-ylidene)-2-methyl-piperidin-1-ium chloride CAS Name: 1-(1,2-dimethyl-5-phenyl-3-pyrazolylidene)-2-methylpiperidin-1-ium chloride IUPAC Name: 1-(1,2-dimethyl-5-phenylpyrazol-3-ylidene)-2-methylpiperidin-1-ium chloride Traditional Name: 1-(1,2-dimethyl-5-phenyl-3-pyrazolin-3-ylidene)-2-methyl-piperidin-1-ium chloride Formula: C17H24ClN3 MolecularWeight: 305.84556

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[N+]1=C2C=C(N(N2C)C)C3=CC=CC=C3.[Cl-]

Isomeric SMILES

CC1CCCC[N+]1=C2C=C(N(N2C)C)C3=CC=CC=C3.[Cl-]

InChI

InChI=1S/C17H24N3.ClH/c1-14-9-7-8-12-20(14)17-13-16(18(2)19(17)3)15-10-5-4-6-11-15;/h4-6,10-11,13-14H,7-9,12H2,1-3H3;1H/q+1;/p-1